2-[2-ethyl-6-(4-octylphenyl)phenyl]-4-heptyl-pyrimidine

Systemtic Name: 2-[2-ethyl-6-(4-octylphenyl)phenyl]-4-heptyl-pyrimidine Openeye Name: 2-[2-ethyl-6-(4-octylphenyl)phenyl]-4-heptyl-pyrimidine CAS Name: 2-[2-ethyl-6-(4-octylphenyl)phenyl]-4-heptylpyrimidine IUPAC Name: 2-[2-ethyl-6-(4-octylphenyl)phenyl]-4-heptylpyrimidine Traditional Name: 2-[2-ethyl-6-(4-octylphenyl)phenyl]-4-heptyl-pyrimidine Formula: C33H46N2 MolecularWeight: 470.73174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(C(=CC=C2)CC)C3=NC=CC(=N3)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C(=CC=C2)CC)C3=NC=CC(=N3)CCCCCCC

InChI

InChI=1S/C33H46N2/c1-4-7-9-11-13-14-17-27-21-23-29(24-22-27)31-20-16-18-28(6-3)32(31)33-34-26-25-30(35-33)19-15-12-10-8-5-2/h16,18,20-26H,4-15,17,19H2,1-3H3